BioLiP

PDB

BioLiP

PDB CCD ID:

OXX

Number of entries in BioLiP:

Chemical formula:

C6 H6 N O7

InChI:

InChI=1S/C6H7NO7/c7-2(4(9)10)1-3(8)14-6(13)5(11)12/h2H,1,7H2,(H,9,10)(H,11,12)/p-1/t2-/m0/s1

InChIKey:

KIMLIGRTULKOOV-REOHCLBHSA-M

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CC(=O)OC(=O)C([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]
CACTVS 3.341	N[C@@H](CC(=O)OC(=O)C([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)C(=O)OC(=O)C(=O)[O-]
ACDLabs 10.04	O=C(OC(=O)CC(N)C(=O)O)C([O-])=O

Name:

OXALYL-ASPARTYL ANHYDRIDE

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).